Geometry & MOs

Info

ID:	320522
PubChem CID:	126661576
Reduced:	SN2C24H30 (1)
Stoich.:	AB2C24D30 (1)
Weight, g/mol:	300.195011
ΔH_f, kcal/mol:	91.18
Dipole, Da:	1.65
IP(EA), eV:	-8.4(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(2,3,7,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridin-4-yl)-5-methyl-3,4-dihydropyrazol-4-yl]cyclohexen-1-ol

Drug info:

PubChemData

Smile

CCCC(=C)CCCC1=CC=CC=C1NC(=C2CC2)C3=CSC(=N3)CC=C

DOS

IR

Vibrations